N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide

C21H18N4O2S — CID 16884456

IUPACN-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1nc2ccccc2s1
InChIInChI=1S/C21H18N4O2S/c26-19(23-21-22-17-9-4-5-10-18(17)28-21)11-6-14-25-20(27)13-12-16(24-25)15-7-2-1-3-8-15/h1-5,7-10,12-13H,6,11,14H2,(H,22,23,26)
InChIKeyACUOPSLPYYUTIW-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.94
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide

N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (PubChem CID 16884456) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
PubChem CID16884456
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1nc2ccccc2s1
InChIInChI=1S/C21H18N4O2S/c26-19(23-21-22-17-9-4-5-10-18(17)28-21)11-6-14-25-20(27)13-12-16(24-25)15-7-2-1-3-8-15/h1-5,7-10,12-13H,6,11,14H2,(H,22,23,26)
InChIKeyACUOPSLPYYUTIW-UHFFFAOYSA-N
XLogP3.94
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884924
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 16885460
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884517
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884434
N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
CID 53439401
2-(1,3-benzothiazol-2-ylmethyl)-6-phenylpyridazin-3-one
CID 47060976
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
CID 16885773
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (CID 16884456) is N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is O=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The InChIKey is ACUOPSLPYYUTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-19(23-21-22-17-9-4-5-10-18(17)28-21)11-6-14-25-20(27)13-12-16(24-25)15-7-2-1-3-8-15/h1-5,7-10,12-13H,6,11,14H2,(H,22,23,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide has a molecular weight of 390.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is sourced from PubChem (CID 16884456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).